General Information of the Compound
| Compound ID |
CP0332248
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| Compound Name |
N-[4-[4-[3-(trifluoromethyl)phenyl]piperazin-1-yl]butyl]isoquinolin-1-amine
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| Structure |
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| Formula |
C24H27F3N4
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| Molecular Weight |
428.502
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| Canonical SMILES |
FC(F)(F)c1cccc(c1)N1CCN(CCCCNc2nccc3ccccc23)CC1
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| InChI |
InChI=1S/C24H27F3N4/c25-24(26,27)20-7-5-8-21(18-20)31-16-14-30(15-17-31)13-4-3-11-28-23-22-9-2-1-6-19(22)10-12-29-23/h1-2,5-10,12,18H,3-4,11,13-17H2,(H,28,29)
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| InChIKey |
KFWSEMIBLPIBOC-UHFFFAOYSA-N
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| Physicochemical Property |
"RO5" indicates the cutoff set by lipinski's rule of five: (1) Molecular weight less than 500 Dalton; (2) xlogp less than 5; (3) No more than 5 hbonddonor (Hydrogen Bond Donor Count); (4) No more than 10 hbondacc (Hydrogen Bond Acceptor Count); (5) No more than 10 rotbonds (Rotatable Bond Count). Show/Hide
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Map of Molecular Bioactivity Related to the Compound
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Map of Molecular Bioactivity Related to the Compound Compound Cell Line Protein Bioactivity Value: <= 0.1 μM > 0.1 μM and <= 10 μM > 10 μM Imprecise Activity |
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Table of Molecular Bioactivities Related to the Compound